Mls002703379
Basic information
- CAS
67083-22-1- Standard SMILES
Cc1ccc(S(=O)(=O)Nc2c(C)cc([N+](=O)[O-])cc2C)cc1- InChIKey
FMQFWJMJTOKIET-UHFFFAOYSA-N- Molecular formula
- C15H16N2O4S
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 320.08307817
Names & identifiers
- Preferred name
- Mls002703379
- IUPAC
- N-(2,6-dimethyl-4-nitrophenyl)-4-methylbenzenesulfonamide
Names & synonyms
MLS00270337967083-22-1DTXSID50294573RefChem:357222DTXCID00245712n-(2,6-dimethyl-4-nitrophenyl)-4-methylbenzenesulfonamideNSC97147CHEMBL1704200SCHEMBL10623079FMQFWJMJTOKIET-UHFFFAOYSA-NNSC-97147NSC101581
Show more names
NSC-101581SMR001570098I845821-(p-Toluenesulfonamido)-2,6-dimethyl-4-nitrobenzeneN-(2,6-Dimethyl-4-nitrophenyl)-4-methylbenzene-1-sulfonamide
Database identifiers
- CAS
67083-22-1- PubChem CID
- 263000
- DTXSID
DTXSID50294573- ChEMBL
CHEMBL1704200
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 477
Related reactions
1 records
Compound notes
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